Chemical Properties of 2-(4-Methyl-2-oxo-cyclohexyl)-propanoic acid

InChI

InChI=1S/C10H16O3/c1-6-3-4-8(9(11)5-6)7(2)10(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)

InChI Key

NLVKRMKUKIWVJS-UHFFFAOYSA-N

Formula

C10H16O3

SMILES

CC1CCC(C(C)C(=O)O)C(=O)C1

Molecular Weight¹

184.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.69	kJ/mol	Joback Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-1.30		Relay (1.0) Calculated Property
logPoct/wat	1.712		Crippen Calculated Property
McVol	149.910	ml/mol	McGowan Calculated Property
I	[2820.00; 2820.00]
I	2820.00		NIST
I	2820.00		NIST
Tboil	532.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[427.33; 510.55]	J/mol×K	[656.17; 885.96]
Cp,gas	427.33	J/mol×K	656.17	Joback Calculated Property
Cp,gas	443.91	J/mol×K	694.47	Joback Calculated Property
Cp,gas	459.40	J/mol×K	732.77	Joback Calculated Property
Cp,gas	473.81	J/mol×K	771.07	Joback Calculated Property
Cp,gas	487.14	J/mol×K	809.36	Joback Calculated Property
Cp,gas	499.39	J/mol×K	847.66	Joback Calculated Property
Cp,gas	510.55	J/mol×K	885.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Methyl-2-oxo-cyclohexyl)-propanoic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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